PDB-code
| Kinase structure | |
| Kinase: | PRKAA2 (AMPKa2) |
| Family: | CAMKL |
| Group: | CAMK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1542 |
| PDB: | 6BX6 |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2018-05-09 |
| PubMed: | 29695504 |
| Chain: | A |
| (Alternate) Model: | B |
| Orthosteric ligand: | EDJ |
 | |
| More entries for 6BX6 | |||||
| 6BX6 | Alternative model: | A | Chain: | A | |
| Structural information | |
| DFG conformation: | out-like |
| αC-helix conformation: | out |
| G-rich loop angle (distance): | 57.8° (17.5Å) |
| G-rich loop rotation: | 73.6° |
| Quality Score: | 8 |
| Resolution: | 2.9 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 54 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front | ||||
| Pocket alignment | |
| Uniprot sequence: | DTLGVGTFGKVKIVAVKILKIKREIQNLKLFRPHIIKLYQVFMVMEYVSGGELFDYICKYCHRHMVVHRDLKPENVLLIADFGLS |
| Sequence structure: | DTLGVGTFGKVKIVAVKILKIKREIQNLKLFRPHIIKLYQVFMVMEYVSGGELFDYICKYCHRHMVVHRDLKPENVLLIADFGLS |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL4128069 |
| Bioaffinities: | 2 records for 2 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Serine/threonine-protein kinase ULK1 | 7 | 7 | 7 | pIC50 | 1 |
| Homo sapiens | Serine/threonine-protein kinase ULK2 | 6.2 | 6.2 | 6.2 | pIC50 | 1 |
Kinase-ligand interaction pattern
• Hydrophobic • Aromatic face-to-face • Aromatic face-to-edge • H-bond donor • H-bond acceptor • Ionic positive • Ionic negative
| I | g.l | II | III | αC | |||||||||||||||
| 1 D 20 | 2 T 21 | 3 L 22 | 4 G 23 | 5 V 24 | 6 G 25 | 7 T 26 | 8 F 27 | 9 G 28 | 10 K 29 | 11 V 30 | 12 K 31 | 13 I 32 | 14 V 42 | 15 A 43 | 16 V 44 | 17 K 45 | 18 I 46 | 19 L 47 | 20 K 60 |
| • | • | • | • | ||||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 I 61 | 22 K 62 | 23 R 63 | 24 E 64 | 25 I 65 | 26 Q 66 | 27 N 67 | 28 L 68 | 29 K 69 | 30 L 70 | 31 F 71 | 32 R 72 | 33 P 74 | 34 H 75 | 35 I 76 | 36 I 77 | 37 K 78 | 38 L 79 | 39 Y 80 | 40 Q 81 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 82 | 42 F 90 | 43 M 91 | 44 V 92 | 45 M 93 | 46 E 94 | 47 Y 95 | 48 V 96 | 49 S 97 | 50 G 98 | 51 G 99 | 52 E 100 | 53 L 101 | 54 F 102 | 55 D 103 | 56 Y 104 | 57 I 105 | 58 C 106 | 59 K 107 | 60 Y 129 |
| • | • | •• | ••• | • | • | ||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 C 130 | 62 H 131 | 63 R 132 | 64 H 133 | 65 M 134 | 66 V 135 | 67 V 136 | 68 H 137 | 69 R 138 | 70 D 139 | 71 L 140 | 72 K 141 | 73 P 142 | 74 E 143 | 75 N 144 | 76 V 145 | 77 L 146 | 78 L 147 | 79 I 155 | 80 A 156 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 157 | 82 F 158 | 83 G 159 | 84 L 160 | 85 S 161 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
